SCHEMBL8993024

SCHEMBL8993024

COC(=O)c1ccc(Cc2cccc(OC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 1/20 0.57
BLM P54132 1/20 0.57
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
HDAC1 Q13547 1/20 0.56
LMNA P02545 3/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
MMP13 P45452 3/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28414146 0.88 MTNR1B (0.59) MTNR1AMTNR1BSMN1; SMN2NPC1MEN1
SCHEMBL5213132 0.87 LOXL2 (0.71) SMN1; SMN2NPC1RAB9APOLBBLM
SCHEMBL1897614 0.85 CA1 (0.59) SMN1; SMN2NPC1RAB9APOLBBLM
Hydrochloric Acid SCHEMBL16506765 0.84 HDAC1 (0.74) SMN1; SMN2NPC1RAB9APOLBBLM
SCHEMBL8993003 0.84 CA1 (0.78) SMN1; SMN2NPC1RAB9AMEN1ALDH1A1
SCHEMBL9607150 0.84 MTNR1A (0.59) MTNR1AMTNR1BNPC1RAB9AKMT2A
SCHEMBL10069983 0.84 NPC1 (0.60) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL8993120 0.83 MAPT (0.56) SMN1; SMN2RAB9AMEN1KMT2ATP53
SCHEMBL481113 0.83 LOXL2 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3646136 0.82 RAB9A (0.65) SMN1; SMN2NPC1RAB9APOLBBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed